N-(3-methoxypropyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-(3-methoxypropyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(3-methoxypropyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

InChI

InChI=1S/C17H22N4O4/c1-12(2)13-5-7-14(8-6-13)25-17-15(21(22)23)16(19-11-20-17)18-9-4-10-24-3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,19,20)